ethyl 2-amino-3-cyclopropylpropanoate hydrochloride

• ChemBase ID: 286256
• Molecular Formular: C8H16ClNO2
• Molecular Mass: 193.67114
• Monoisotopic Mass: 193.08695644
• SMILES: C(=O)(C(CC1CC1)N)OCC.Cl
• Canonical SMILES: CCOC(=O)C(CC1CC1)N.Cl
• InChI: InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7(9)5-6-3-4-6;/h6-7H,2-5,9H2,1H3;1H
• InChIKey: XVVHSCUCSKEKJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-3-cyclopropylpropanoate hydrochloride
• IUPAC Traditional name: ethyl 2-amino-3-cyclopropylpropanoate hydrochloride
• Synonyms: ethyl 2-amino-3-cyclopropylpropanoate hydrochloride

Database IDs

• MDL Number: MFCD21602750
• PubChem SID: 180671787
• PubChem CID: 73994834

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1509439
• LogD (pH = 7.4): 0.41874978
• Log P: 0.71437496
• Molar Refractivity: 41.8864 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.063

Product Information

• Purity: 95%